SCHEMBL5565864

SCHEMBL5565864

COC(=S)C(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 4/20 0.46
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
ALPL P05186 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
MEN1 O00255 3/20 0.42
CTSD P07339 1/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6829889 0.80 LMNA (0.46) KMT2AALDH1A1L3MBTL1MEN1KDM4E
SCHEMBL24445379 0.80 LMNA (0.46) KMT2AALDH1A1L3MBTL1MEN1KDM4E
SCHEMBL5094455 0.80 KMT2A (0.45) KMT2AALDH1A1L3MBTL1MEN1KDM4E
SCHEMBL9098391 0.80 KMT2A (0.45) KMT2AALDH1A1L3MBTL1MEN1KDM4E
SCHEMBL7309316 0.78 KMT2A (0.44) KMT2AALDH1A1ALPLHTTLMNA
SCHEMBL11486852 0.77 TSHR (0.49) KMT2AALDH1A1L3MBTL1MEN1POLB
SCHEMBL1578804 0.73 KMT2A (0.69) KMT2AALDH1A1HDAC3HDAC4HDAC1
SCHEMBL9010845 0.72 L3MBTL1 (0.48) KMT2AALDH1A1HDAC3HDAC4HDAC1
SCHEMBL10552825 0.71 NPSR1 (0.43) KMT2AALDH1A1L3MBTL1MEN1KDM4E
SCHEMBL11222663 0.70 CYP2C19 (0.57) KMT2AALDH1A1KDM4ESMN1; SMN2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100516035-C Method for preparing methyl 2-diphenylmethylsulfinylacetate SEFREN FRANCE CORP (FR) 2009-07-22 CN claimed
CN-101440053-B Preparation of benzhydryl thioacetamide CHONGQING KANGLE PHARMACEUTICAL CO LTD 2013-04-03 CN disclosed
CN-100516035-C Method for preparing methyl 2-diphenylmethylsulfinylacetate SEFREN FRANCE CORP (FR) 2009-07-22 CN disclosed
CN-101440053-A Preparation of benzhydryl thioacetamide CHONGQING KANGLE PHARMACEUTICA (CN) 2009-05-27 CN disclosed
US-7211684-B2 Method for preparing methyl 2-diphenylmethylsulfinylacetate CEPHALON FRANCE (FR) 2007-05-01 US disclosed
US-20060235237-A1 Method for preparing methyl 2-diphenylmethylsulfinylacetate TEVA SANTE (FR) 2006-10-19 US disclosed
CN-1735591-A Method for preparing methyl 2-diphenylmethylsulfinylacetate ORGANISATION DE SYNTHESE MONDI (FR) 2006-02-15 CN disclosed
EP-1583739-A1 METHOD FOR PREPARING METHYL 2-DIPHENYLMETHYLSULFINYLACETATE Organisation de Synthese Mondiale Orsymonde (FR) 2005-10-12 EP disclosed
WO-2004063149-A1 METHOD FOR PREPARING METHYL 2-DIPHENYLMETHYLSULFINYLACETATE ORGANISATION DE SYNTHESE MONDIALE ORSYMONDE (FR) 2004-07-29 WO disclosed
EP-1437345-A1 Novel method for preparing methyl 2-diphenylmethylsulfinylacetate Organisation de Synthese Mondiale Orsymonde (FR) 2004-07-14 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060235237-A1 Method for preparing methyl 2-diphenylmethylsulfinylacetate MTR, TST, MSMO1 KMT2A 127/4885ALDH1A1 478/4885HDAC3 1620/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.